CID 13483763

5-amino-1-methyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C6H7N5O
SMILES
CN1C2=C(C=N1)C(=O)N(C=N2)N
InChI
InChI=1S/C6H7N5O/c1-10-5-4(2-9-10)6(12)11(7)3-8-5/h2-3H,7H2,1H3
InChIKey
TVKDNILWGVYQAU-UHFFFAOYSA-N
Compound name
5-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06506 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.072336 131.2
[M+Na]+ 188.054278 144.7
[M-H]- 164.057784 131.7
[M+NH4]+ 183.098883 149.6
[M+K]+ 204.028218 141.3
[M+H-H2O]+ 148.062320 123.3
[M+HCOO]- 210.063261 154.3
[M+CH3COO]- 224.078911 145.5
[M+Na-2H]- 186.039726 139.6
[M]+ 165.06451142 133.3
[M]- 165.06560858 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.